4-Amino-1-(β-D-Glucopyranuronosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H13N3O7+
IUPAC Name (2s,3r,4r,5r,6r)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 287.226 g·mol−1
Heat of Formation -1138.0 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 301.24 Å 3
Surface Area 268.06 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
InChIKey CHKIQPXDGYGCHW-UIAUGNHASA-N
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